[4-[(3-methoxy-5-nitrophenyl)methyl]-5-methylmorpholin-2-yl]methanol

C14H20N2O5 — CID 81208170

IUPAC[4-[(3-methoxy-5-nitrophenyl)methyl]-5-methylmorpholin-2-yl]methanol
SMILESCOc1cc(CN2CC(CO)OCC2C)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H20N2O5/c1-10-9-21-14(8-17)7-15(10)6-11-3-12(16(18)19)5-13(4-11)20-2/h3-5,10,14,17H,6-9H2,1-2H3
InChIKeyQYTMNNNLFOQTNP-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.18
Rot. Bonds5

About [4-[(3-methoxy-5-nitrophenyl)methyl]-5-methylmorpholin-2-yl]methanol

[4-[(3-methoxy-5-nitrophenyl)methyl]-5-methylmorpholin-2-yl]methanol (PubChem CID 81208170) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is [4-[(3-methoxy-5-nitrophenyl)methyl]-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(3-methoxy-5-nitrophenyl)methyl]-5-methylmorpholin-2-yl]methanol
PubChem CID81208170
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name[4-[(3-methoxy-5-nitrophenyl)methyl]-5-methylmorpholin-2-yl]methanol
SMILESCOc1cc(CN2CC(CO)OCC2C)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H20N2O5/c1-10-9-21-14(8-17)7-15(10)6-11-3-12(16(18)19)5-13(4-11)20-2/h3-5,10,14,17H,6-9H2,1-2H3
InChIKeyQYTMNNNLFOQTNP-UHFFFAOYSA-N
XLogP1.18
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[5-methyl-4-[(3-nitrophenyl)methyl]morpholin-2-yl]methanol
CID 81213298
1-[(3-methoxy-5-nitrophenyl)methyl]-2,5-dimethylpiperazine
CID 81154820
[(2S,5S)-4-benzyl-5-methylmorpholin-2-yl]methanol
CID 124512761
[5-methyl-4-(4-nitro-2-pyridinyl)morpholin-2-yl]methanol
CID 81219361
1-[(3-methoxy-5-nitrophenyl)methyl]azetidin-3-amine
CID 81154887
4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenol
CID 81219785
(3R)-1-[(3-methoxy-5-nitrophenyl)methyl]pyrrolidin-3-ol
CID 81166124
[4-[(3-bromo-5-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81219213
[4-[(2-chloro-4-pyridinyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81203357
(3S)-1-[(3-methoxy-5-nitrophenyl)methyl]-3-methylpiperazine
CID 104977178
[5-methyl-4-[3-(methylamino)-5-nitrophenyl]morpholin-2-yl]methanol
CID 81217943
1-[4-[(3-methoxy-5-nitrophenyl)methyl]morpholin-2-yl]ethanamine
CID 115315508

Frequently Asked Questions

What is the IUPAC name of [4-[(3-methoxy-5-nitrophenyl)methyl]-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[(3-methoxy-5-nitrophenyl)methyl]-5-methylmorpholin-2-yl]methanol (CID 81208170) is [4-[(3-methoxy-5-nitrophenyl)methyl]-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[(3-methoxy-5-nitrophenyl)methyl]-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[(3-methoxy-5-nitrophenyl)methyl]-5-methylmorpholin-2-yl]methanol is COc1cc(CN2CC(CO)OCC2C)cc([N+](=O)[O-])c1.
What is the InChIKey of [4-[(3-methoxy-5-nitrophenyl)methyl]-5-methylmorpholin-2-yl]methanol?
The InChIKey is QYTMNNNLFOQTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-10-9-21-14(8-17)7-15(10)6-11-3-12(16(18)19)5-13(4-11)20-2/h3-5,10,14,17H,6-9H2,1-2H3.
What are the key properties of [4-[(3-methoxy-5-nitrophenyl)methyl]-5-methylmorpholin-2-yl]methanol?
[4-[(3-methoxy-5-nitrophenyl)methyl]-5-methylmorpholin-2-yl]methanol has a molecular weight of 296.32 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methoxy-5-nitrophenyl)methyl]-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 81208170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).